Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97929 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 204.137, 73.025, 58.607 |
Unit cell angles | 90.00, 103.68, 90.00 |
Refinement procedure
Resolution | 49.586 - 1.503 |
R-factor | 0.1468 |
Rwork | 0.146 |
R-free | 0.16670 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.104 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.590 | |
High resolution limit [Å] | 1.500 | 4.490 | 1.500 |
Rmerge | 0.040 | 0.023 | 0.321 |
Rmeas | 0.052 | 0.031 | 0.429 |
Total number of observations | 560589 | ||
Number of reflections | 250365 | 9277 | 34218 |
<I/σ(I)> | 14.85 | 34.75 | 3 |
Completeness [%] | 95.6 | 94.3 | 80.8 |
Redundancy | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.2 M magnesium chloride, 20 % (w/v) PEG3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |